2-[3-(azepan-1-ylcarbonylamino)phenyl]ethanoic acid

Systemtic Name: 2-[3-(azepan-1-ylcarbonylamino)phenyl]ethanoic acid Openeye Name: 2-[3-(azepane-1-carbonylamino)phenyl]acetic acid CAS Name: 2-[3-[[1-azepanyl(oxo)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-(azepane-1-carbonylamino)phenyl]acetic acid Traditional Name: 2-[3-(azepane-1-carbonylamino)phenyl]acetic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C15H20N2O3/c18-14(19)11-12-6-5-7-13(10-12)16-15(20)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,20)(H,18,19)